1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde

C25H28O2 — CID 15418880

IUPAC1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde
SMILESCC(C)(C)c1cc(O)c(-c2c(C=O)ccc3ccccc23)c(C(C)(C)C)c1
InChIInChI=1S/C25H28O2/c1-24(2,3)18-13-20(25(4,5)6)23(21(27)14-18)22-17(15-26)12-11-16-9-7-8-10-19(16)22/h7-15,27H,1-6H3
InChIKeyOOECSLKAMXHRFF-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.62
Rot. Bonds2

About 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde

1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde (PubChem CID 15418880) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde
PubChem CID15418880
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde
SMILESCC(C)(C)c1cc(O)c(-c2c(C=O)ccc3ccccc23)c(C(C)(C)C)c1
InChIInChI=1S/C25H28O2/c1-24(2,3)18-13-20(25(4,5)6)23(21(27)14-18)22-17(15-26)12-11-16-9-7-8-10-19(16)22/h7-15,27H,1-6H3
InChIKeyOOECSLKAMXHRFF-UHFFFAOYSA-N
XLogP6.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-5-[1-[2-(3-tert-butyl-5-formyl-4-hydroxyphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-2-hydroxybenzaldehyde
CID 101472716
3,5-ditert-butyl-2-phenylphenol;titanium(2+);dichloride
CID 174365709
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
5-tert-butyl-2-hydroxy-3-(2,4,6-tritert-butylphenyl)benzaldehyde
CID 102018966
2,4-ditert-butyl-6-hydroxybenzaldehyde
CID 12815585
3,5-ditert-butyl-2-phenylphenol;dichlorotitanium
CID 174365708
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-hydroxyphenolate;(NE,Z)-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate;oxygen(2-);vanadium
CID 139177611
3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
bis(chlorocobalt(2+));3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-1-[3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate
CID 46201392
1-(hydroxymethyl)naphthalene-2-carbaldehyde
CID 21242059

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde?
The IUPAC name of 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde (CID 15418880) is 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde is CC(C)(C)c1cc(O)c(-c2c(C=O)ccc3ccccc23)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde?
The InChIKey is OOECSLKAMXHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-24(2,3)18-13-20(25(4,5)6)23(21(27)14-18)22-17(15-26)12-11-16-9-7-8-10-19(16)22/h7-15,27H,1-6H3.
What are the key properties of 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde?
1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde has a molecular weight of 360.50 g/mol, XLogP of 6.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-ditert-butyl-6-hydroxyphenyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 15418880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).